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Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50239614
Substrate
n/a
Meas. Tech.
ChEMBL_1666539 (CHEMBL4016335)
IC50
1.000000±n/a nM
Citation
 Ye, XY; Chen, SY; Wu, S; Yoon, DS; Wang, H; Hong, Z; O'Connor, SP; Li, J; Li, JJ; Kennedy, LJ; Walker, SJ; Nayeem, A; Sheriff, S; Camac, DM; Ramamurthy, V; Morin, PE; Zebo, R; Taylor, JR; Morgan, NN; Ponticiello, RP; Harrity, T; Apedo, A; Golla, R; Seethala, R; Wang, M; Harper, TW; Sleczka, BG; He, B; Kirby, M; Leahy, DK; Li, J; Hanson, RL; Guo, Z; Li, YX; DiMarco, JD; Scaringe, R; Maxwell, B; Moulin, F; Barrish, JC; Gordon, DA; Robl, JA Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11?-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem 60:4932-4948 (2017) [PubMed]  Article
Target
Name:
11-beta-hydroxysteroid dehydrogenase 1
Synonyms:
11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1
Type:
Enzyme
Mol. Mass.:
32409.16
Organism:
Homo sapiens (Human)
Description:
P28845
Residue:
292
Sequence:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM50239614
Synonyms:
CHEMBL4067777
Type:
Small organic molecule
Emp. Form.:
C21H26FNO2
Mol. Mass.:
343.435
SMILES:
OC1CN(C1)C(=O)CC1(C2CC3CC(C2)CC1C3)c1ccc(F)cc1 |TLB:17:16:14:10.11.12,7:8:10.17.11:15.13.14,18:8:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12,18:8:10.17.11:15.13.14,(49.46,-25.67,;49.94,-24.2,;49.24,-22.82,;50.62,-22.13,;51.32,-23.5,;51.1,-20.66,;49.85,-19.75,;52.57,-20.18,;53.71,-21.22,;54.91,-19.94,;56.23,-20.43,;57.63,-20.08,;57.65,-18.55,;56.24,-17.97,;54.9,-18.45,;55.2,-19.21,;55.21,-20.8,;56.62,-21.36,;53.69,-22.76,;52.35,-23.51,;52.33,-25.04,;53.66,-25.83,;53.65,-27.37,;55.01,-25.06,;55.01,-23.53,)|
Structure:
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